#*********************************************************************************
#
# Crystallographic Information File for Nitridophosphate-1
#
# Reference :
# Correll, S., Oeckler, O., Stock, N. and Schnick, W.
# Angew. Chem. Int. Ed., 42, 3549-3552, (2003)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_Nitridophosphate-1
_chemical_name_systematic 'Nitridophosphate-1'
_cell_length_a 4.753
_cell_length_b 14.208
_cell_length_c 8.203
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P n a 21'
_symmetry_space_group_name_H-M 'P n a 21'
_symmetry_space_group_name_Hall 'P 2c -2n'
_space_group.IT_number 33
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
P1 P 0.8233 0.4357 0.1421 0.91 1
P2 P 0.6749 0.5033 -0.1774 0.89 1
P3 P 0.7917 0.3092 -0.123 1.01 1
N1 N 0.7703 0.5199 0.0041 1.26 1
N2 N 0.707 0.3971 -0.2369 1.11 1
N3 N 0.7442 0.3325 0.0672 1.03 1
N4 N 0.35 0.5398 -0.1923 1.03 1
N5 N 0.6184 0.2153 -0.1677 0.95 1
N6 N 0.1515 0.4292 0.1987 1.11 1
Cl1 Cl 0.989 0.251 0.441 12.5 0.64
Li1 Li 0.833 0.145 0.623 2.61 0.54
Li2 Li 0.181 0.602 0.008 2.61 0.5
Li3 Li 0.862 0.203 0.2 2.61 0.43
# End of data for Nitridophosphate-1